Asperagenin

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  • Identifiers

    CAS number
    17305-15-6

    Molecular formula
    C27H44O5

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@H]5[C@@]4(CC[C@@H](C5)O)C)O)C)O[C@]16CC[C@@](CO6)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.7%
    Sweet 39.68%
    Balsamic 36.48%
    Spicy 34.75%
    Herbal 33.94%
    Mint 33.09%
    Camphoreous 32.72%
    Earthy 31.42%
    Amber 31.08%
    Floral 30.57%

     

    Flavor
    Earthy 36.46%
    Bitter 32.62%
    Sweet 32.58%
    Fatty 31.67%
    Minty 31.46%
    Herbal 30.36%
    Fruity 30.15%
    Fruit 28.82%
    Spicy 27.15%
    Fresh 24.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.08 (neutral)

    Molecular weight
    448.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 235.78 ˚C est.

  • Synonyms

    • Asperagenin
    • UNII-56JLP9B53W
    • 56JLP9B53W
    • Spirostan-3,6,25-triol, (3beta,5beta,6alpha,25R)-
    • SPIROSTAN-3,6,25-TRIOL, (3.BETA.,5.BETA.,6.ALPHA.,25R)-
    • RefChem:114703
    • 17305-15-6
    • (1R,2S,3'R,4S,6R,7S,8R,9S,12S,13R,16S,18R,19S)-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-3',16,19-triol
    • CHEBI:172120
    • DTXSID901280036
    • (25R)-5beta-Spirostan-3beta,6alpha,25-triol
    • Q27261406
    • Spirostan-3,6,25-triol, (3I(2),5I(2),6I+/-,25R)-
    • 17305-15-6

  • Applications

    Asperagenin (CAS 17305-15-6) may serve as an intermediate or building block in organic synthesis, particularly for steroidal or triterpenoid frameworks in pharmaceutical and specialty chemical applications. It is commonly evaluated as a natural product-derived scaffold for derivative synthesis in medicinal chemistry. In cosmetics/personal care, it may be explored as a bioactive ingredient or formulation modifier, subject to regulatory approval. In agriculture, it can act as a lead or precursor in the development of agrochemicals or biologically active compounds. It can also provide a chiral building block for polymer and materials chemistry applications, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.44
    methanol 30.52
    isopropanol 5.63
    water 0.89
    ethyl acetate 14.32
    n-propanol 12.25
    acetone 31.77
    n-butanol 9.03
    acetonitrile 18.8
    DMF 61.31
    toluene 7.65
    isobutanol 5.6
    1,4-dioxane 45.23
    methyl acetate 11.62
    THF 139.76
    2-butanone 14.23
    n-pentanol 9.02
    sec-butanol 1.69
    n-hexane 0.21
    ethylene glycol 7.04
    NMP 46.85
    cyclohexane 0.39
    DMSO 101.0
    n-butyl acetate 13.79
    n-octanol 7.72
    chloroform 36.21
    n-propyl acetate 12.14
    acetic acid 42.62
    dichloromethane 26.35
    cyclohexanone 34.54
    propylene glycol 4.48
    isopropyl acetate 13.78
    DMAc 47.89
    2-ethoxyethanol 41.99
    isopentanol 6.87
    n-heptane 0.34
    ethyl formate 15.54
    1,2-dichloroethane 13.39
    n-hexanol 10.9
    2-methoxyethanol 59.36
    isobutyl acetate 11.64
    tetrachloromethane 5.23
    n-pentyl acetate 17.84
    transcutol 68.95
    n-heptanol 11.97
    ethylbenzene 3.49
    MIBK 15.42
    2-propoxyethanol 63.82
    tert-butanol 3.92
    MTBE 3.11
    2-butoxyethanol 46.97
    propionic acid 12.44
    o-xylene 3.91
    formic acid 31.04
    diethyl ether 7.09
    m-xylene 6.29
    p-xylene 4.35
    chlorobenzene 13.03
    dimethyl carbonate 19.2
    n-octane 0.18
    formamide 40.49
    cyclopentanone 59.76
    2-pentanone 17.07
    anisole 13.86
    cyclopentyl methyl ether 20.73
    gamma-butyrolactone 65.1
    1-methoxy-2-propanol 41.61
    pyridine 38.44
    3-pentanone 10.54
    furfural 57.94
    n-dodecane 0.18
    diethylene glycol 49.21
    diisopropyl ether 2.33
    tert-amyl alcohol 1.72
    acetylacetone 34.78
    n-hexadecane 0.22
    acetophenone 18.45
    methyl propionate 16.06
    isopentyl acetate 14.69
    trichloroethylene 36.5
    n-nonanol 9.14
    cyclohexanol 4.82
    benzyl alcohol 18.44
    2-ethylhexanol 5.79
    isooctanol 9.09
    dipropyl ether 7.04
    1,2-dichlorobenzene 12.47
    ethyl lactate 13.62
    propylene carbonate 27.36
    n-methylformamide 40.31
    2-pentanol 2.76
    n-pentane 0.22
    1-propoxy-2-propanol 32.08
    1-methoxy-2-propyl acetate 32.02
    2-(2-methoxypropoxy) propanol 26.2
    mesitylene 3.45
    ε-caprolactone 31.32
    p-cymene 3.43
    epichlorohydrin 68.32
    1,1,1-trichloroethane 9.86
    2-aminoethanol 16.19
    morpholine-4-carbaldehyde 75.12
    sulfolane 69.58
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 19.73
    n-hexyl acetate 18.45
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 41.85
    sec-butyl acetate 8.16
    tert-butyl acetate 14.67
    decalin 0.41
    glycerin 17.43
    diglyme 70.52
    acrylic acid 18.52
    isopropyl myristate 6.27
    n-butyric acid 23.78
    acetyl acetate 20.06
    di(2-ethylhexyl) phthalate 11.55
    ethyl propionate 10.5
    nitromethane 71.83
    1,2-diethoxyethane 15.53
    benzonitrile 18.64
    trioctyl phosphate 8.33
    1-bromopropane 4.18
    gamma-valerolactone 105.02
    n-decanol 5.27
    triethyl phosphate 7.72
    4-methyl-2-pentanol 3.87
    propionitrile 11.35
    vinylene carbonate 36.4
    1,1,2-trichlorotrifluoroethane 47.97
    DMS 13.92
    cumene 2.7
    2-octanol 4.38
    2-hexanone 12.29
    octyl acetate 9.58
    limonene 3.34
    1,2-dimethoxyethane 48.66
    ethyl orthosilicate 7.5
    tributyl phosphate 7.21
    diacetone alcohol 19.99
    N,N-dimethylaniline 9.52
    acrylonitrile 21.02
    aniline 13.55
    1,3-propanediol 24.61
    bromobenzene 11.35
    dibromomethane 13.43
    1,1,2,2-tetrachloroethane 22.55
    2-methyl-cyclohexyl acetate 13.62
    tetrabutyl urea 10.43
    diisobutyl methanol 3.33
    2-phenylethanol 23.86
    styrene 4.15
    dioctyl adipate 12.04
    dimethyl sulfate 29.58
    ethyl butyrate 11.61
    methyl lactate 20.28
    butyl lactate 19.38
    diethyl carbonate 8.37
    propanediol butyl ether 27.93
    triethyl orthoformate 11.19
    p-tert-butyltoluene 3.11
    methyl 4-tert-butylbenzoate 23.72
    morpholine 47.63
    tert-butylamine 1.65
    n-dodecanol 2.98
    dimethoxymethane 67.07
    ethylene carbonate 29.6
    cyrene 33.94
    2-ethoxyethyl acetate 30.92
    2-ethylhexyl acetate 10.64
    1,2,4-trichlorobenzene 15.86
    4-methylpyridine 24.79
    dibutyl ether 4.36
    2,6-dimethyl-4-heptanol 3.33
    DEF 17.87
    dimethyl isosorbide 45.69
    tetrachloroethylene 18.97
    eugenol 29.24
    triacetin 22.92
    span 80 22.9
    1,4-butanediol 12.0
    1,1-dichloroethane 8.48
    2-methyl-1-pentanol 5.88
    methyl formate 30.36
    2-methyl-1-butanol 4.24
    n-decane 0.4
    butyronitrile 11.28
    3,7-dimethyl-1-octanol 5.95
    1-chlorooctane 2.3
    1-chlorotetradecane 0.74
    n-nonane 0.3
    undecane 0.26
    tert-butylcyclohexane 0.32
    cyclooctane 0.25
    cyclopentanol 7.88
    tetrahydropyran 19.84
    tert-amyl methyl ether 2.51
    2,5,8-trioxanonane 44.17
    1-hexene 1.03
    2-isopropoxyethanol 23.61
    2,2,2-trifluoroethanol 22.86
    methyl butyrate 13.35

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction